SCHEMBL24201247

SCHEMBL24201247

O=C(CC12CC3CC(CC(C3)C1)C2)NCCOCCOCCO

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.62
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PTP4A3 O75365 1/20 0.43
P2RX7 Q99572 1/20 0.42
POLB P06746 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24201340 1.00 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL17457691 0.98 ALDH1A1 (0.61) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL22225447 0.87 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL17471623 0.87 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL15597241 0.87 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL19509238 0.87 EPHX2 (0.81) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL24201255 0.86 EPHX2 (0.60) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL15532610 0.85 EPHX2 (0.59) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL19509240 0.85 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL19500378 0.83 EPHX2 (0.60) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3618833-B1 TRIPARTITE ANDROGEN RECEPTOR ELIMINATORS, METHODS AND USES THEREOF SPG THERAPEUTICS INC (US) 2022-01-19 EP disclosed